Spektraris NMR
Calocedimers B
Common Name: Calocedimers B
Synonyms: Calocedimers B
CAS Registry Number:
InChI: InChI=1S/C35H54O/c1-22(2)26-15-18-35(9,29-13-11-24(5)19-28(26)29)36-31-21-30-25(20-27(31)23(3)4)12-14-32-33(6,7)16-10-17-34(30,32)8/h19-23,26,28-29,32H,10-18H2,1-9H3/t26-,28-,29+,32-,34+,35+/m0/s1
InChIKey: InChIKey=PUOUOSYFDPLSOP-TYEQMGJPSA-N
Formula: C35H54O1
Molecular Weight: 490.803962
Exact Mass: 490.417466
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hsieh, C.L., Shiu, L.L., Tseng, M.H., Shao, Y.Y., Kuo, Y.H. J Nat Prod (2006) 69, 665-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 39 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 41.7 |
| 4 (C) | 33.4 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 30.3 |
| 8 (C) | 129 |
| 9 (C) | 147.5 |
| 10 (C) | 37.5 |
| 11 (CH) | 118.2 |
| 12 (C) | 150.4 |
| 13 (C) | 139.2 |
| 14 (CH) | 126.1 |
| 15 (CH) | 26.4 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 23.1 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 24.9 |
| 1' (CH) | 49.1 |
| 2' (CH2) | 23 |
| 3' (CH2) | 31.1 |
| 4' (C) | 135.1 |
| 5' (CH) | 122.4 |
| 6' (CH) | 39.8 |
| 7' (CH) | 46.5 |
| 8' (CH2) | 21.8 |
| 9' (CH2) | 37.8 |
| 10' (C) | 82.1 |
| 11' (CH) | 26 |
| 12' (CH3) | 15.1 |
| 13' (CH3) | 21.5 |
| 14' (CH3) | 19.5 |
| 15' (CH3) | 23.9 |
